4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile

C14H15N3S — CID 55037144

IUPAC4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
SMILESCc1nc(C(C)Nc2cc(C#N)ccc2C)cs1
InChIInChI=1S/C14H15N3S/c1-9-4-5-12(7-15)6-13(9)16-10(2)14-8-18-11(3)17-14/h4-6,8,10,16H,1-3H3
InChIKeyWIEILJYSNVYFLN-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.80
Rot. Bonds3

About 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile

4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile (PubChem CID 55037144) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
PubChem CID55037144
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
SMILESCc1nc(C(C)Nc2cc(C#N)ccc2C)cs1
InChIInChI=1S/C14H15N3S/c1-9-4-5-12(7-15)6-13(9)16-10(2)14-8-18-11(3)17-14/h4-6,8,10,16H,1-3H3
InChIKeyWIEILJYSNVYFLN-UHFFFAOYSA-N
XLogP3.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 63476911
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701911
3-[1-(2,6-dihydroxyphenyl)ethylamino]-4-methylbenzonitrile
CID 107710910
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670029
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
CID 60935222
3-(2,6-dimethylheptan-4-ylamino)-4-methylbenzonitrile
CID 63477609
2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530
8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43731624
4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile
CID 63477258
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979
2-bromo-5-fluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 107633286

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile?
The IUPAC name of 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile (CID 55037144) is 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile.
What is the SMILES notation for 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile?
The canonical SMILES for 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile is Cc1nc(C(C)Nc2cc(C#N)ccc2C)cs1.
What is the InChIKey of 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile?
The InChIKey is WIEILJYSNVYFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9-4-5-12(7-15)6-13(9)16-10(2)14-8-18-11(3)17-14/h4-6,8,10,16H,1-3H3.
What are the key properties of 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile?
4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile is sourced from PubChem (CID 55037144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).